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BDBM50184987 CHEMBL3822515

SMILES: COc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=XGHALRBUKJYKLT-KQYNXXCUSA-N

Data: 2 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50184987   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
heat shock 70kDa protein 8 isoform 1


(Homo sapiens (Human))
BDBM50184987
PNG
(CHEMBL3822515)
Show SMILES COc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H15N5O5/c1-20-11-15-5-8(12)13-3-14-9(5)16(11)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

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PC cid
PC sid
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Similars

PubMed
n/an/an/a>1.00E+6n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis


J Med Chem 59: 4625-36 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03B3X
More data for this
Ligand-Target Pair
heat shock 70kDa protein 8 isoform 1


(Homo sapiens (Human))
BDBM50184987
PNG
(CHEMBL3822515)
Show SMILES COc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H15N5O5/c1-20-11-15-5-8(12)13-3-14-9(5)16(11)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14)/t4-,6-,7-,10-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a<1.00E+6n/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Binding affinity to human truncated HSC70 NBD (1 to 381 residues) by SPR analysis


J Med Chem 59: 4625-36 (2016)


BindingDB Entry DOI: 10.7270/Q2Z03B3X
More data for this
Ligand-Target Pair